(Z)-4-cyclohexylbut-3-en-2-one

C10H16O — CID 24972589

IUPAC(Z)-4-cyclohexylbut-3-en-2-one
SMILESCC(=O)/C=C\C1CCCCC1
InChIInChI=1S/C10H16O/c1-9(11)7-8-10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3/b8-7-
InChIKeyPZJXLLHDHUDWFH-FPLPWBNLSA-N
MW152.24 g/mol
LogP2.71
Rot. Bonds2

About (Z)-4-cyclohexylbut-3-en-2-one

(Z)-4-cyclohexylbut-3-en-2-one (PubChem CID 24972589) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (Z)-4-cyclohexylbut-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-cyclohexylbut-3-en-2-one
PubChem CID24972589
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(Z)-4-cyclohexylbut-3-en-2-one
SMILESCC(=O)/C=C\C1CCCCC1
InChIInChI=1S/C10H16O/c1-9(11)7-8-10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3/b8-7-
InChIKeyPZJXLLHDHUDWFH-FPLPWBNLSA-N
XLogP2.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-4-cyclohexylbut-3-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-4-cyclohexylbut-3-en-2-one?
The IUPAC name of (Z)-4-cyclohexylbut-3-en-2-one (CID 24972589) is (Z)-4-cyclohexylbut-3-en-2-one.
What is the SMILES notation for (Z)-4-cyclohexylbut-3-en-2-one?
The canonical SMILES for (Z)-4-cyclohexylbut-3-en-2-one is CC(=O)/C=C\C1CCCCC1.
What is the InChIKey of (Z)-4-cyclohexylbut-3-en-2-one?
The InChIKey is PZJXLLHDHUDWFH-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H16O/c1-9(11)7-8-10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3/b8-7-.
What are the key properties of (Z)-4-cyclohexylbut-3-en-2-one?
(Z)-4-cyclohexylbut-3-en-2-one has a molecular weight of 152.24 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-cyclohexylbut-3-en-2-one is sourced from PubChem (CID 24972589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).